#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bux n ASN 7 N 0.00 1.53 0.00 6.55 3.02 -1.26 -2.34 115.26 122.76 1bux n ASN 7 Ca 0.00 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1bux n ASN 7 Cb 0.00 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1bux n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1bux n LYS 8 N 0.99 0.27 -1.92 3.52 5.02 -1.26 -4.33 118.16 120.46 1bux n LYS 8 Ca 0.00 -0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 55.37 1bux n LYS 8 Cb 0.22 -0.74 0.02 0.00 -0.02 0.00 0.00 35.03 34.51 1bux n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1bux s GLU 9 N -0.19 3.45 0.07 1.97 2.12 -0.99 -4.68 118.70 120.44 1bux s GLU 9 Ca 0.00 2.16 0.04 0.00 0.36 0.00 0.00 54.97 57.52 1bux s GLU 9 Cb 0.00 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1bux s GLU 9 CO 0.00 -0.92 -0.11 1.03 -0.54 0.00 0.00 175.26 174.72 1bux s ARG 10 N -2.72 0.72 0.09 4.30 0.52 -1.26 -1.58 118.95 119.03 1bux s ARG 10 Ca 0.67 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1bux s ARG 10 Cb -0.38 -0.56 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 1bux s ARG 10 CO 0.46 0.11 -0.10 -0.08 0.02 0.00 0.00 175.30 175.72 1bux s THR 11 N -1.64 0.89 -0.16 0.02 -1.32 -1.04 -4.72 115.64 107.67 1bux s THR 11 Ca -0.03 -1.60 -0.07 0.00 -1.21 0.00 0.00 61.69 58.78 1bux s THR 11 Cb -0.08 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1bux s THR 11 CO 0.01 -0.56 0.09 0.12 -2.21 0.00 0.00 174.62 172.07 1bux s PHE 12 N -2.40 3.36 0.11 9.09 5.36 -1.26 -2.23 117.98 130.01 1bux s PHE 12 Ca 0.04 0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.32 1bux s PHE 12 Cb -0.03 -2.02 -0.04 0.00 -0.34 0.00 0.00 43.02 40.60 1bux s PHE 12 CO -0.00 0.39 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.52 1bux s LEU 13 N -0.19 2.42 -0.25 6.12 1.43 0.63 -2.04 118.68 126.80 1bux s LEU 13 Ca 0.09 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1bux s LEU 13 Cb -0.12 -0.39 0.13 0.00 0.03 0.00 0.00 46.19 45.85 1bux s LEU 13 CO 0.01 -0.24 0.49 0.00 0.23 0.00 0.00 176.35 176.84 1bux s ALA 14 N -2.48 -1.54 -0.13 4.21 0.00 -1.00 -0.53 121.76 120.30 1bux s ALA 14 Ca 0.08 1.54 -0.29 0.00 0.00 0.00 0.00 51.96 53.29 1bux s ALA 14 Cb -0.03 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1bux s ALA 14 CO 0.01 -1.07 1.40 0.08 0.00 0.00 0.00 175.76 176.18 1bux s VAL 15 N 2.70 4.04 0.78 0.00 1.01 -0.51 -2.12 120.40 126.30 1bux s VAL 15 Ca 0.07 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.19 1bux s VAL 15 Cb -0.14 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.49 1bux s VAL 15 CO -0.17 -0.12 1.10 -0.54 0.00 0.00 0.00 175.10 175.38 1bux s LYS 16 N 3.70 2.19 0.43 2.72 1.02 0.14 -2.24 119.74 127.70 1bux s LYS 16 Ca 0.61 0.59 0.35 0.00 0.02 0.00 0.00 55.97 57.54 1bux s LYS 16 Cb -0.26 -1.93 1.42 0.00 -0.52 0.00 0.00 37.83 36.54 1bux s LYS 16 CO 0.20 -1.53 1.40 -2.30 -0.92 0.00 0.00 175.35 172.20 1bux n PRO 17 N -3.36 -0.02 0.07 -1.68 -0.02 -1.25 0.56 135.00 129.30 1bux n PRO 17 Ca 0.07 1.07 -0.13 0.00 -2.02 0.00 0.00 63.50 62.49 1bux n PRO 17 Cb 0.57 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 1bux n PRO 17 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1bux h ASP 18 N 0.00 0.26 0.48 2.55 2.03 -1.89 0.13 116.42 119.99 1bux h ASP 18 Ca 0.81 -0.31 -0.02 0.00 -0.73 0.00 0.00 57.03 56.77 1bux h ASP 18 Cb 2.86 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 41.28 1bux h ASP 18 CO -0.27 1.25 -0.23 1.23 -1.03 0.00 0.00 179.24 180.19 1bux h GLY 19 N 2.16 -0.68 0.30 7.15 0.00 -0.02 0.18 103.07 112.17 1bux h GLY 19 Ca -0.14 0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.49 1bux h GLY 19 CO 0.16 -0.25 -0.20 -2.08 0.00 0.00 0.00 176.54 174.18 1bux h VAL 20 N -0.90 0.49 -0.02 4.60 2.07 -1.35 -1.46 116.25 119.68 1bux h VAL 20 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1bux h VAL 20 Cb 0.59 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1bux h VAL 20 CO 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 1bux h ALA 21 N 0.83 1.77 -0.09 1.67 0.00 -0.66 -1.78 119.26 121.00 1bux h ALA 21 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bux h ALA 21 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bux h ALA 21 CO -0.31 0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.65 1bux n ARG 22 N -4.38 1.67 -2.82 0.00 1.74 0.62 -4.95 116.66 108.54 1bux n ARG 22 Ca -0.02 -1.00 -0.10 0.00 -0.77 0.00 0.00 57.85 55.96 1bux n ARG 22 Cb 0.20 -1.43 0.05 0.00 -1.02 0.00 0.00 32.46 30.25 1bux n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bux n GLY 23 N 1.14 0.03 0.56 -0.13 0.00 -0.67 -4.96 105.19 101.17 1bux n GLY 23 Ca 0.18 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1bux n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bux n LEU 24 N -2.72 3.07 0.27 0.99 4.77 -0.61 -4.71 117.00 118.07 1bux n LEU 24 Ca -0.13 -2.53 -0.15 0.00 -0.03 0.00 0.00 56.01 53.17 1bux n LEU 24 Cb 0.58 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1bux n LEU 24 CO 0.33 0.67 0.57 0.58 -1.33 0.00 0.00 177.39 178.21 1bux h VAL 25 N 1.36 0.45 -0.33 4.08 2.07 -1.87 -2.25 116.25 119.75 1bux h VAL 25 Ca 0.00 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1bux h VAL 25 Cb 1.00 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1bux h VAL 25 CO 0.08 0.05 -0.10 1.23 0.02 0.00 0.00 177.57 178.84 1bux h GLY 26 N -0.87 0.20 0.81 2.17 0.00 -1.98 -1.62 103.07 101.78 1bux h GLY 26 Ca -0.07 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1bux h GLY 26 CO 0.11 -0.14 0.02 -2.09 0.00 0.00 0.00 176.54 174.44 1bux h GLU 27 N -0.03 0.08 -0.29 4.80 4.57 -1.87 0.10 114.58 121.94 1bux h GLU 27 Ca 0.16 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1bux h GLU 27 Cb 0.28 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 1bux h GLU 27 CO -0.36 0.05 0.02 0.82 -1.18 0.00 0.00 179.01 178.36 1bux h ILE 28 N 0.08 0.81 -0.39 2.32 2.04 -1.19 -1.30 117.51 119.88 1bux h ILE 28 Ca 0.07 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1bux h ILE 28 Cb 0.07 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1bux h ILE 28 CO -0.10 0.02 0.17 0.40 0.00 0.00 0.00 178.15 178.64 1bux h ILE 29 N 0.11 1.18 -0.90 -0.67 2.04 -0.91 -2.62 117.51 115.74 1bux h ILE 29 Ca 0.14 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1bux h ILE 29 Cb 0.17 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1bux h ILE 29 CO -0.21 0.20 0.58 0.00 0.00 0.00 0.00 178.15 178.72 1bux h ALA 30 N 1.02 1.63 -0.71 1.87 0.00 -0.38 0.10 119.26 122.80 1bux h ALA 30 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1bux h ALA 30 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1bux h ALA 30 CO -0.01 0.18 0.41 0.00 0.00 0.00 0.00 179.25 179.83 1bux h ARG 31 N 0.89 0.97 0.01 0.00 3.08 -0.86 0.17 114.38 118.64 1bux h ARG 31 Ca 0.42 -0.10 -0.22 0.00 0.07 0.00 0.00 59.98 60.16 1bux h ARG 31 Cb 0.42 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1bux h ARG 31 CO -0.18 0.70 -0.94 1.88 -1.07 0.00 0.00 179.97 180.36 1bux h TYR 32 N 0.97 0.48 -0.75 3.04 0.05 -1.19 -2.58 116.97 116.98 1bux h TYR 32 Ca 0.25 -0.27 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1bux h TYR 32 Cb -0.01 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1bux h TYR 32 CO -0.01 1.09 0.34 0.93 -1.05 0.00 0.00 178.16 179.46 1bux h GLU 33 N 0.17 1.10 0.00 4.88 5.08 -0.30 -2.41 114.58 123.10 1bux h GLU 33 Ca -0.07 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1bux h GLU 33 Cb 1.58 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1bux h GLU 33 CO 0.15 0.87 -0.22 0.87 -1.00 0.00 0.00 179.01 179.68 1bux h LYS 34 N 1.06 0.00 -0.39 2.33 1.57 -0.63 -2.83 116.57 117.68 1bux h LYS 34 Ca 0.26 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1bux h LYS 34 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1bux h LYS 34 CO -0.03 0.22 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.60 1bux h LYS 35 N 0.00 0.80 0.00 3.15 1.63 -1.02 -3.48 116.57 117.65 1bux h LYS 35 Ca -0.00 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 1bux h LYS 35 Cb 0.40 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1bux h LYS 35 CO 0.03 0.96 0.00 0.41 -3.45 0.00 0.00 179.45 177.40 1bux n GLY 36 N -0.17 0.57 3.84 5.01 0.00 -1.07 -5.11 105.19 108.26 1bux n GLY 36 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1bux n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bux s PHE 37 N -1.42 3.57 -0.17 1.61 0.08 -1.19 -4.89 117.98 115.58 1bux s PHE 37 Ca 0.00 1.16 -0.09 0.00 0.12 0.00 0.00 56.93 58.12 1bux s PHE 37 Cb 0.00 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 1bux s PHE 37 CO 0.00 0.34 0.13 0.08 -0.10 0.00 0.00 175.22 175.68 1bux s VAL 38 N -1.58 5.45 -0.10 -0.44 1.01 -0.36 -4.53 120.40 119.85 1bux s VAL 38 Ca 0.42 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1bux s VAL 38 Cb -0.15 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1bux s VAL 38 CO 0.20 0.52 1.11 -0.22 0.00 0.00 0.00 175.10 176.71 1bux s LEU 39 N -0.25 4.24 -0.02 3.92 2.96 -1.26 -0.65 118.68 127.62 1bux s LEU 39 Ca 0.11 1.65 0.13 0.00 -0.22 0.00 0.00 54.13 55.80 1bux s LEU 39 Cb -0.11 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.82 1bux s LEU 39 CO 0.01 -0.55 0.32 0.52 -1.32 0.00 0.00 176.35 175.33 1bux n VAL 40 N 4.71 0.00 -3.51 1.68 0.31 0.20 -4.95 118.33 116.77 1bux n VAL 40 Ca 0.10 -0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.03 1bux n VAL 40 Cb 0.47 0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 33.67 1bux n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1bux s GLY 41 N -3.37 -0.48 -0.25 2.92 0.00 -1.15 -1.03 107.32 103.96 1bux s GLY 41 Ca -0.04 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.69 1bux s GLY 41 CO 0.55 0.04 1.15 -2.27 0.00 0.00 0.00 173.10 172.56 1bux s LEU 42 N -2.78 -0.29 -0.26 0.66 2.96 -1.26 -2.79 118.68 114.92 1bux s LEU 42 Ca 0.03 0.45 -0.33 0.00 -0.22 0.00 0.00 54.13 54.05 1bux s LEU 42 Cb -0.01 1.61 0.17 0.00 0.50 0.00 0.00 46.19 48.46 1bux s LEU 42 CO -0.10 -0.17 1.32 -1.59 -1.32 0.00 0.00 176.35 174.49 1bux s LYS 43 N -0.43 0.12 0.01 1.98 -2.85 -0.52 -4.99 119.74 113.06 1bux s LYS 43 Ca 0.03 -0.01 0.09 0.00 -1.00 0.00 0.00 55.97 55.08 1bux s LYS 43 Cb -0.03 0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1bux s LYS 43 CO -0.06 -0.05 -0.26 -1.14 0.10 0.00 0.00 175.35 173.95 1bux s GLN 44 N -1.60 1.95 0.13 1.78 0.74 -1.26 -0.78 119.66 120.62 1bux s GLN 44 Ca 0.09 -1.02 -0.25 0.00 0.05 0.00 0.00 55.36 54.23 1bux s GLN 44 Cb -0.01 -2.01 0.08 0.00 1.10 0.00 0.00 33.01 32.17 1bux s GLN 44 CO -0.05 0.54 1.03 -0.48 -0.55 0.00 0.00 175.29 175.78 1bux s LEU 45 N -0.93 -0.12 -0.29 3.68 2.34 -0.58 -4.95 118.68 117.83 1bux s LEU 45 Ca 0.11 -0.40 -0.07 0.00 0.06 0.00 0.00 54.13 53.82 1bux s LEU 45 Cb -0.10 2.00 -0.00 0.00 -0.56 0.00 0.00 46.19 47.53 1bux s LEU 45 CO 0.01 -0.81 0.09 -0.69 -1.06 0.00 0.00 176.35 173.89 1bux s VAL 46 N -2.94 4.12 0.55 1.48 1.01 -1.26 0.83 120.40 124.19 1bux s VAL 46 Ca 0.14 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 1bux s VAL 46 Cb -0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1bux s VAL 46 CO 0.02 0.13 1.30 -2.84 0.00 0.00 0.00 175.10 173.71 1bux s PRO 47 N 1.54 3.17 0.24 2.72 0.02 -1.26 -5.01 135.00 136.42 1bux s PRO 47 Ca 0.04 2.10 -0.05 0.00 0.02 0.00 0.00 61.00 63.10 1bux s PRO 47 Cb -0.17 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 32.09 1bux s PRO 47 CO 0.03 -1.13 0.50 0.95 -0.33 0.00 0.00 177.00 177.03 1bux s THR 48 N -1.38 5.06 0.32 0.99 -4.23 -1.26 -4.53 115.64 110.61 1bux s THR 48 Ca 0.72 0.06 0.11 0.00 -1.18 0.00 0.00 61.69 61.40 1bux s THR 48 Cb -0.37 -3.69 0.32 0.00 1.34 0.00 0.00 72.50 70.09 1bux s THR 48 CO 0.43 -0.20 1.69 0.11 -0.54 0.00 0.00 174.62 176.11 1bux h LYS 49 N 2.06 0.41 -0.14 3.99 1.79 -1.95 0.26 116.57 122.99 1bux h LYS 49 Ca -0.47 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 57.99 1bux h LYS 49 Cb 1.18 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 1bux h LYS 49 CO 0.68 0.27 0.02 -0.44 -1.08 0.00 0.00 179.45 178.90 1bux h ASP 50 N 0.42 0.00 -0.41 0.86 3.32 -1.99 -0.23 116.42 118.40 1bux h ASP 50 Ca 0.67 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.60 1bux h ASP 50 Cb 1.40 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1bux h ASP 50 CO -0.55 0.02 -0.27 0.25 -1.72 0.00 0.00 179.24 176.97 1bux h LEU 51 N 0.08 0.97 0.08 1.55 5.85 -0.97 -1.17 115.31 121.69 1bux h LEU 51 Ca 0.06 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1bux h LEU 51 Cb 0.06 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1bux h LEU 51 CO -0.08 1.17 -0.04 0.00 -0.34 0.00 0.00 178.44 179.15 1bux h ALA 52 N 0.89 -0.11 -0.31 1.25 0.00 -0.68 0.29 119.26 120.59 1bux h ALA 52 Ca 0.09 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bux h ALA 52 Cb 0.84 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1bux h ALA 52 CO 0.07 -0.49 0.10 1.49 0.00 0.00 0.00 179.25 180.42 1bux h GLU 53 N -0.24 0.22 -0.68 0.00 4.57 -1.00 0.31 114.58 117.77 1bux h GLU 53 Ca -0.01 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1bux h GLU 53 Cb 0.20 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1bux h GLU 53 CO 0.02 0.15 0.15 1.03 -1.18 0.00 0.00 179.01 179.18 1bux h SER 54 N 0.23 1.03 -0.52 1.04 0.87 -1.15 -1.31 113.55 113.73 1bux h SER 54 Ca 0.14 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 1bux h SER 54 Cb 0.12 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1bux h SER 54 CO -0.15 0.99 0.13 -0.74 -0.53 0.00 0.00 176.83 176.53 1bux h HIS 55 N 1.02 0.86 -0.78 2.24 -0.00 0.37 -3.04 115.15 115.82 1bux h HIS 55 Ca 0.21 -0.10 -0.36 0.00 -0.00 0.00 0.00 60.37 60.12 1bux h HIS 55 Cb 0.38 -0.24 -0.22 0.00 -0.00 0.00 0.00 27.41 27.33 1bux h HIS 55 CO 0.03 0.76 0.46 0.66 -0.00 0.00 0.00 177.93 179.83 1bux n TYR 56 N -4.45 2.44 -0.18 5.26 4.01 0.10 -4.72 117.16 119.62 1bux n TYR 56 Ca 0.02 -1.46 -0.04 0.00 -0.16 0.00 0.00 57.90 56.25 1bux n TYR 56 Cb 0.22 -0.77 0.02 0.00 -0.31 0.00 0.00 39.34 38.50 1bux n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bux h ALA 57 N 1.59 0.06 0.00 -0.72 0.00 -1.13 -0.48 119.26 118.57 1bux h ALA 57 Ca 0.45 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1bux h ALA 57 Cb 2.44 0.66 0.00 0.00 0.00 0.00 0.00 17.79 20.89 1bux h ALA 57 CO 0.84 -0.61 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 1bux n GLU 58 N -5.43 0.00 -0.30 0.00 0.28 -1.26 -1.49 120.64 112.45 1bux n GLU 58 Ca 0.04 0.23 0.08 0.00 -0.16 0.00 0.00 57.16 57.35 1bux n GLU 58 Cb 0.34 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.85 1bux n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1bux n HIS 59 N -1.23 0.00 -0.21 -1.84 8.25 -0.19 -4.86 115.22 115.13 1bux n HIS 59 Ca 0.00 -1.02 0.01 0.00 -0.26 0.00 0.00 57.72 56.45 1bux n HIS 59 Cb 0.00 -0.17 0.09 0.00 1.12 0.00 0.00 29.99 31.04 1bux n HIS 59 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1bux h LYS 60 N 0.30 0.06 -0.95 -0.41 1.79 -1.29 -2.49 116.57 113.57 1bux h LYS 60 Ca -0.01 -0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.95 1bux h LYS 60 Cb 1.07 -0.01 -0.29 0.00 -1.58 0.00 0.00 32.23 31.41 1bux h LYS 60 CO 0.00 0.04 0.62 -0.85 -1.08 0.00 0.00 179.45 178.19 1bux n GLU 61 N -5.35 2.27 -4.01 3.15 0.28 -1.26 -4.88 120.64 110.83 1bux n GLU 61 Ca 0.09 -3.06 -0.33 0.00 -0.16 0.00 0.00 57.16 53.71 1bux n GLU 61 Cb 0.36 -2.17 -0.06 0.00 1.43 0.00 0.00 31.44 31.01 1bux n GLU 61 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1bux s ARG 62 N -3.35 3.21 0.44 3.44 1.81 -0.94 -5.00 118.95 118.55 1bux s ARG 62 Ca 0.57 -0.45 0.17 0.00 -1.72 0.00 0.00 55.73 54.30 1bux s ARG 62 Cb 0.48 -2.94 1.08 0.00 -0.45 0.00 0.00 34.95 33.12 1bux s ARG 62 CO 0.09 0.64 1.93 -1.00 -0.68 0.00 0.00 175.30 176.28 1bux h PRO 63 N 3.82 0.37 0.00 3.54 0.13 -1.92 -2.66 132.00 135.27 1bux h PRO 63 Ca -0.48 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 1bux h PRO 63 Cb 1.18 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1bux h PRO 63 CO 0.66 0.24 -0.80 0.27 -0.23 0.00 0.00 178.00 178.15 1bux h PHE 64 N 0.38 0.00 -1.31 1.56 -5.15 -1.94 -3.35 116.94 107.12 1bux h PHE 64 Ca 0.36 0.00 0.39 0.00 -0.20 0.00 0.00 57.97 58.52 1bux h PHE 64 Cb 0.87 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.95 1bux h PHE 64 CO -0.00 0.48 0.88 0.35 -2.00 0.00 0.00 178.31 178.02 1bux h PHE 65 N 0.00 0.38 0.36 6.09 3.04 -1.68 0.17 116.94 125.30 1bux h PHE 65 Ca -0.05 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 1bux h PHE 65 Cb 1.41 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.79 1bux h PHE 65 CO 0.00 -0.07 -0.49 0.78 -2.02 0.00 0.00 178.31 176.51 1bux h GLY 66 N 0.13 -1.15 2.00 2.40 0.00 -1.76 -2.65 103.07 102.04 1bux h GLY 66 Ca 0.73 0.58 -0.05 0.00 0.00 0.00 0.00 47.33 48.58 1bux h GLY 66 CO -0.25 -0.33 -0.23 -1.33 0.00 0.00 0.00 176.54 174.40 1bux h GLY 67 N -0.89 0.00 0.94 4.60 0.00 -0.97 -3.10 103.07 103.65 1bux h GLY 67 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1bux h GLY 67 CO -0.13 0.00 -0.29 1.41 0.00 0.00 0.00 176.54 177.53 1bux h LEU 68 N 0.00 -0.68 -1.00 3.11 3.38 -1.12 -2.32 115.31 116.68 1bux h LEU 68 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1bux h LEU 68 Cb 0.55 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1bux h LEU 68 CO 0.03 -0.44 0.66 0.58 0.09 0.00 0.00 178.44 179.36 1bux h VAL 69 N -0.88 1.21 0.54 1.22 2.07 -1.45 -2.16 116.25 116.80 1bux h VAL 69 Ca -0.08 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1bux h VAL 69 Cb 0.64 -0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1bux h VAL 69 CO 0.14 0.24 -0.26 0.77 0.02 0.00 0.00 177.57 178.48 1bux h SER 70 N 1.30 -0.61 -0.13 0.57 4.64 -1.51 -3.13 113.55 114.67 1bux h SER 70 Ca 0.38 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.68 1bux h SER 70 Cb -0.07 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1bux h SER 70 CO -0.10 -0.28 -0.05 0.15 -0.87 0.00 0.00 176.83 175.68 1bux h PHE 71 N -0.96 -0.12 0.00 4.77 3.57 -1.37 -0.17 116.94 122.66 1bux h PHE 71 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1bux h PHE 71 Cb 0.63 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1bux h PHE 71 CO 0.00 -0.09 0.00 1.51 -2.23 0.00 0.00 178.31 177.50 1bux n ILE 72 N -5.19 0.89 0.04 1.41 3.06 -0.82 -0.41 119.36 118.33 1bux n ILE 72 Ca -0.04 0.22 0.00 0.00 -2.50 0.00 0.00 62.75 60.44 1bux n ILE 72 Cb 0.12 -1.15 0.00 0.00 0.54 0.00 0.00 39.64 39.14 1bux n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1bux n THR 73 N -1.26 0.00 1.94 9.51 -2.24 -0.34 -4.05 114.28 117.85 1bux n THR 73 Ca 0.02 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1bux n THR 73 Cb 0.03 1.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.43 1bux n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bux n SER 74 N -0.20 0.10 0.00 3.42 3.41 0.45 -4.80 113.62 115.99 1bux n SER 74 Ca 0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1bux n SER 74 Cb 0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1bux n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bux n GLY 75 N 0.61 -0.68 3.76 5.00 0.00 -1.26 -5.07 105.19 107.54 1bux n GLY 75 Ca 0.04 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 1bux n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bux s PRO 76 N -2.00 3.36 -0.02 1.61 0.04 -1.26 -4.34 135.00 132.39 1bux s PRO 76 Ca 0.00 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1bux s PRO 76 Cb 0.00 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1bux s PRO 76 CO 0.00 -1.03 -0.07 0.08 0.04 0.00 0.00 177.00 176.02 1bux s VAL 77 N -1.28 0.63 -0.54 -0.36 1.01 0.24 -3.78 120.40 116.34 1bux s VAL 77 Ca 0.67 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 1bux s VAL 77 Cb -0.41 -0.57 0.13 0.00 0.00 0.00 0.00 36.38 35.53 1bux s VAL 77 CO 0.50 0.20 0.49 -0.69 0.00 0.00 0.00 175.10 175.61 1bux s VAL 78 N 0.20 5.20 0.34 2.92 1.01 -0.95 -1.53 120.40 127.58 1bux s VAL 78 Ca -0.03 -1.49 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 1bux s VAL 78 Cb -0.08 -4.33 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1bux s VAL 78 CO 0.00 -0.86 0.90 0.00 0.00 0.00 0.00 175.10 175.14 1bux s ALA 79 N 1.60 3.20 -0.01 5.51 0.00 0.04 -1.42 121.76 130.69 1bux s ALA 79 Ca 0.03 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1bux s ALA 79 Cb -0.30 -3.10 0.08 0.00 0.00 0.00 0.00 23.12 19.80 1bux s ALA 79 CO 0.03 0.19 0.71 0.00 0.00 0.00 0.00 175.76 176.70 1bux s MET 80 N -2.39 1.04 -0.17 0.00 0.23 0.31 -1.44 119.30 116.89 1bux s MET 80 Ca 0.52 0.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.20 1bux s MET 80 Cb -0.15 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.67 1bux s MET 80 CO 0.20 -0.37 -0.11 0.08 -2.03 0.00 0.00 175.02 172.79 1bux s VAL 81 N -1.99 1.49 0.33 5.16 1.01 -1.12 -0.27 120.40 125.01 1bux s VAL 81 Ca -0.06 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1bux s VAL 81 Cb -0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1bux s VAL 81 CO 0.02 0.31 0.33 -0.36 0.00 0.00 0.00 175.10 175.39 1bux s PHE 82 N 1.49 2.95 0.00 5.22 0.08 -0.95 -0.63 117.98 126.15 1bux s PHE 82 Ca 0.02 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 1bux s PHE 82 Cb -0.14 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1bux s PHE 82 CO -0.09 0.16 0.06 -2.00 -0.10 0.00 0.00 175.22 173.25 1bux s GLU 83 N -4.03 0.36 0.00 0.44 2.12 0.17 -2.49 118.70 115.28 1bux s GLU 83 Ca 0.41 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1bux s GLU 83 Cb -0.07 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1bux s GLU 83 CO 0.27 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 1bux n GLY 84 N 1.73 2.73 3.68 -1.50 0.00 -0.62 -1.23 105.19 109.99 1bux n GLY 84 Ca -0.22 -1.36 -0.46 0.00 0.00 0.00 0.00 46.02 43.98 1bux n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bux n LYS 85 N -1.46 2.26 -2.56 1.61 4.81 -1.26 -2.45 118.16 119.11 1bux n LYS 85 Ca 0.00 0.82 -0.16 0.00 -0.87 0.00 0.00 58.31 58.10 1bux n LYS 85 Cb 0.00 -2.62 -0.00 0.00 0.02 0.00 0.00 35.03 32.42 1bux n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bux n GLY 86 N 3.76 -0.50 0.32 3.14 0.00 -1.26 -4.85 105.19 105.80 1bux n GLY 86 Ca 0.18 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1bux n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1bux h VAL 87 N -0.19 1.09 -0.10 1.61 3.04 -1.76 -1.68 116.25 118.25 1bux h VAL 87 Ca -0.36 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.12 1bux h VAL 87 Cb 1.26 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1bux h VAL 87 CO 0.43 0.10 0.02 0.58 -1.01 0.00 0.00 177.57 177.69 1bux h VAL 88 N 0.56 1.21 -0.34 1.51 2.07 -1.87 0.12 116.25 119.50 1bux h VAL 88 Ca 0.17 -0.64 -0.15 0.00 0.82 0.00 0.00 66.70 66.90 1bux h VAL 88 Cb -0.00 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1bux h VAL 88 CO -0.04 0.18 -0.40 0.00 0.02 0.00 0.00 177.57 177.34 1bux h ALA 89 N 0.80 0.65 -0.25 1.67 0.00 -1.85 -3.03 119.26 117.25 1bux h ALA 89 Ca 0.03 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1bux h ALA 89 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1bux h ALA 89 CO 0.00 0.67 -0.05 1.03 0.00 0.00 0.00 179.25 180.90 1bux h SER 90 N 0.68 0.49 0.11 0.00 0.87 -1.25 -2.56 113.55 111.89 1bux h SER 90 Ca 0.05 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1bux h SER 90 Cb 0.97 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1bux h SER 90 CO 0.09 0.73 -0.29 0.00 -0.53 0.00 0.00 176.83 176.83 1bux h ALA 91 N 0.77 -0.49 -0.35 6.23 0.00 -0.78 0.52 119.26 125.15 1bux h ALA 91 Ca 0.07 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1bux h ALA 91 Cb 0.52 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1bux h ALA 91 CO 0.02 -0.83 -0.09 0.00 0.00 0.00 0.00 179.25 178.35 1bux h ARG 92 N -0.51 -0.01 -0.11 0.00 2.47 -1.57 0.26 114.38 114.91 1bux h ARG 92 Ca 0.03 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1bux h ARG 92 Cb 0.54 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.81 1bux h ARG 92 CO -0.18 -0.01 -0.24 1.25 0.56 0.00 0.00 179.97 181.36 1bux h LEU 93 N -0.01 -0.73 -1.29 3.04 5.85 -0.96 0.13 115.31 121.34 1bux h LEU 93 Ca 0.17 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1bux h LEU 93 Cb 0.27 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1bux h LEU 93 CO -0.36 -0.29 0.42 0.24 -0.34 0.00 0.00 178.44 178.11 1bux h MET 94 N -0.32 0.91 -0.55 1.25 2.86 -0.27 -2.73 114.93 116.09 1bux h MET 94 Ca 0.09 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1bux h MET 94 Cb 0.45 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1bux h MET 94 CO -0.29 0.62 -0.04 0.82 1.06 0.00 0.00 176.91 179.08 1bux h ILE 95 N 0.93 1.26 0.00 -1.22 2.04 0.87 0.18 117.51 121.57 1bux h ILE 95 Ca 0.25 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1bux h ILE 95 Cb -0.07 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1bux h ILE 95 CO -0.05 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.13 1bux n GLY 96 N -0.43 -1.38 3.92 5.37 0.00 0.33 -1.26 105.19 111.73 1bux n GLY 96 Ca 0.02 -2.07 -0.22 0.00 0.00 0.00 0.00 46.02 43.75 1bux n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bux s VAL 97 N 0.00 5.00 0.21 1.61 -7.23 -1.26 -4.76 120.40 113.97 1bux s VAL 97 Ca 0.00 -1.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.88 1bux s VAL 97 Cb 0.00 -3.69 0.16 0.00 0.56 0.00 0.00 36.38 33.41 1bux s VAL 97 CO 0.00 -0.30 1.55 0.71 -0.31 0.00 0.00 175.10 176.75 1bux h THR 98 N 1.35 0.02 -3.31 5.32 1.35 -1.97 -3.34 112.91 112.34 1bux h THR 98 Ca -0.50 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 64.77 1bux h THR 98 Cb 1.23 0.02 -0.08 0.00 -1.73 0.00 0.00 68.15 67.59 1bux h THR 98 CO 0.62 0.00 0.67 0.21 -0.25 0.00 0.00 175.52 176.76 1bux s ASN 99 N -5.35 6.87 0.53 5.36 2.47 -1.26 -4.71 114.94 118.84 1bux s ASN 99 Ca -0.14 0.98 0.20 0.00 0.42 0.00 0.00 52.86 54.33 1bux s ASN 99 Cb 0.18 -2.49 1.37 0.00 -1.45 0.00 0.00 41.25 38.85 1bux s ASN 99 CO 0.69 -0.73 2.11 -0.65 -3.72 0.00 0.00 177.10 174.80 1bux h PRO 100 N 7.96 0.00 0.00 0.43 0.11 -1.82 -1.63 132.00 137.04 1bux h PRO 100 Ca -0.22 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 1bux h PRO 100 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1bux h PRO 100 CO 0.96 0.00 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.37 1bux h LEU 101 N 0.00 0.00 -1.55 2.35 3.38 -1.79 -2.27 115.31 115.43 1bux h LEU 101 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bux h LEU 101 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1bux h LEU 101 CO -0.00 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.84 1bux n ALA 102 N -2.40 2.48 -2.72 1.53 0.00 -0.62 -4.89 120.51 113.89 1bux n ALA 102 Ca -0.02 -0.69 -0.38 0.00 0.00 0.00 0.00 53.44 52.35 1bux n ALA 102 Cb 0.38 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 1bux n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bux s SER 103 N -1.54 6.76 0.63 0.00 0.01 -0.85 -4.81 113.70 113.90 1bux s SER 103 Ca 0.34 0.91 -0.18 0.00 1.31 0.00 0.00 55.95 58.33 1bux s SER 103 Cb 0.19 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 1bux s SER 103 CO 0.28 -0.05 1.24 0.00 0.41 0.00 0.00 173.24 175.13 1bux s ALA 104 N 0.77 2.43 0.54 1.44 0.00 -1.26 -4.29 121.76 121.39 1bux s ALA 104 Ca 0.29 1.09 -0.22 0.00 0.00 0.00 0.00 51.96 53.12 1bux s ALA 104 Cb -0.16 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1bux s ALA 104 CO 0.12 -1.42 1.35 -2.14 0.00 0.00 0.00 175.76 173.68 1bux s PRO 105 N -3.41 3.18 0.00 0.00 0.02 -1.26 -2.36 135.00 131.17 1bux s PRO 105 Ca 0.79 2.22 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1bux s PRO 105 Cb -0.33 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1bux s PRO 105 CO 0.37 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1bux n GLY 106 N 0.71 2.78 3.91 0.52 0.00 -1.26 -4.98 105.19 106.87 1bux n GLY 106 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1bux n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bux s SER 107 N 0.28 5.51 0.02 1.61 1.04 -1.00 -4.94 113.70 116.21 1bux s SER 107 Ca 0.00 0.73 -0.26 0.00 0.48 0.00 0.00 55.95 56.91 1bux s SER 107 Cb 0.00 -1.68 -0.16 0.00 0.10 0.00 0.00 66.02 64.28 1bux s SER 107 CO 0.00 -1.14 1.24 0.40 0.98 0.00 0.00 173.24 174.72 1bux h ILE 108 N -0.26 0.52 0.00 -1.02 2.04 -0.55 -1.53 117.51 116.71 1bux h ILE 108 Ca -0.45 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1bux h ILE 108 Cb 1.26 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1bux h ILE 108 CO 0.61 0.08 -0.23 0.03 0.00 0.00 0.00 178.15 178.64 1bux h ARG 109 N -0.86 0.00 0.00 2.37 3.08 -1.44 -1.98 114.38 115.56 1bux h ARG 109 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1bux h ARG 109 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1bux h ARG 109 CO 0.09 0.23 -0.07 0.78 -1.07 0.00 0.00 179.97 179.93 1bux h GLY 110 N 0.90 0.00 0.55 0.04 0.00 -1.69 -1.15 103.07 101.72 1bux h GLY 110 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 1bux h GLY 110 CO 0.03 0.00 -1.97 1.22 0.00 0.00 0.00 176.54 175.82 1bux n ASP 111 N -3.12 0.49 0.00 0.19 8.00 -0.59 -4.54 116.55 116.97 1bux n ASP 111 Ca 0.04 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1bux n ASP 111 Cb 0.55 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1bux n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bux n PHE 112 N -2.88 0.00 -4.08 1.24 3.72 -0.80 -5.06 117.46 109.59 1bux n PHE 112 Ca -0.22 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.95 1bux n PHE 112 Cb 1.06 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.56 1bux n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bux s GLY 113 N -0.17 1.41 0.00 1.37 0.00 -0.43 -5.01 107.32 104.49 1bux s GLY 113 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1bux s GLY 113 CO 0.00 -1.39 0.00 1.55 0.00 0.00 0.00 173.10 173.26 1bux n VAL 114 N -1.12 0.00 -4.83 1.40 3.14 -1.26 -4.51 118.33 111.16 1bux n VAL 114 Ca -0.08 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.99 1bux n VAL 114 Cb 0.57 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.22 1bux n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1bux s ASP 115 N -0.84 3.55 0.43 6.55 2.15 -1.26 -4.37 116.67 122.88 1bux s ASP 115 Ca 0.00 -0.46 0.14 0.00 0.43 0.00 0.00 52.55 52.66 1bux s ASP 115 Cb 0.00 -0.51 0.95 0.00 -0.30 0.00 0.00 42.92 43.07 1bux s ASP 115 CO 0.00 0.27 1.97 0.58 -0.17 0.00 0.00 175.17 177.82 1bux h VAL 116 N 4.13 1.15 -0.41 1.11 2.07 -1.96 -2.72 116.25 119.62 1bux h VAL 116 Ca -0.47 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 1bux h VAL 116 Cb 1.15 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1bux h VAL 116 CO 0.47 0.21 -0.20 1.23 0.02 0.00 0.00 177.57 179.29 1bux h GLY 117 N 0.64 0.86 -6.76 2.17 0.00 -1.94 -3.33 103.07 94.71 1bux h GLY 117 Ca -0.00 -0.72 -0.63 0.00 0.00 0.00 0.00 47.33 45.98 1bux h GLY 117 CO 0.03 0.66 -0.49 0.54 0.00 0.00 0.00 176.54 177.28 1bux n ARG 118 N -4.12 2.27 -1.12 4.80 5.12 -1.03 -4.93 116.66 117.65 1bux n ARG 118 Ca 0.00 -4.57 -0.17 0.00 -1.93 0.00 0.00 57.85 51.18 1bux n ARG 118 Cb 0.42 -2.30 0.17 0.00 -1.16 0.00 0.00 32.46 29.59 1bux n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1bux n ASN 119 N 1.53 3.75 0.00 0.55 0.23 -1.20 -4.22 115.26 115.91 1bux n ASN 119 Ca 0.24 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.57 1bux n ASN 119 Cb 0.37 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 1bux n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1bux n ILE 120 N -1.09 0.00 -4.16 1.53 -0.00 -1.26 -4.82 119.36 109.56 1bux n ILE 120 Ca 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 63.13 1bux n ILE 120 Cb 1.25 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.79 1bux n ILE 120 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 1bux s ILE 121 N 0.00 0.09 -0.02 1.39 2.07 -1.26 0.25 121.20 123.72 1bux s ILE 121 Ca 0.00 -1.93 0.02 0.00 -1.41 0.00 0.00 60.65 57.34 1bux s ILE 121 Cb 0.00 -2.13 0.00 0.00 0.13 0.00 0.00 42.46 40.46 1bux s ILE 121 CO 0.00 -0.38 -0.08 -2.28 -1.91 0.00 0.00 174.94 170.29 1bux s HIS 122 N -4.06 0.80 0.02 3.50 5.65 -0.90 -4.89 115.29 115.41 1bux s HIS 122 Ca 0.27 -0.18 0.05 0.00 0.25 0.00 0.00 55.06 55.45 1bux s HIS 122 Cb 0.07 -0.56 -0.02 0.00 -1.18 0.00 0.00 32.58 30.90 1bux s HIS 122 CO 0.04 -0.06 -0.14 0.20 -0.65 0.00 0.00 174.74 174.13 1bux s GLY 123 N 0.07 0.74 0.31 1.59 0.00 -1.26 -2.37 107.32 106.40 1bux s GLY 123 Ca -0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 1bux s GLY 123 CO 0.00 -0.70 1.47 -0.56 0.00 0.00 0.00 173.10 173.31 1bux s SER 124 N -0.89 6.52 0.23 1.64 0.01 -0.86 -4.93 113.70 115.42 1bux s SER 124 Ca 0.02 2.85 0.19 0.00 1.31 0.00 0.00 55.95 60.32 1bux s SER 124 Cb -0.07 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.56 1bux s SER 124 CO 0.01 -0.77 1.19 -2.24 0.41 0.00 0.00 173.24 171.84 1bux h ASP 125 N 4.13 0.00 -5.10 2.44 2.03 -1.92 -3.45 116.42 114.55 1bux h ASP 125 Ca -0.48 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.70 1bux h ASP 125 Cb 1.23 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.56 1bux h ASP 125 CO 0.72 0.27 -0.48 -0.94 -1.03 0.00 0.00 179.24 177.79 1bux s SER 126 N -5.90 0.15 0.57 4.15 1.04 -1.26 -4.92 113.70 107.54 1bux s SER 126 Ca 0.01 -0.54 0.27 0.00 0.48 0.00 0.00 55.95 56.17 1bux s SER 126 Cb 0.08 0.26 1.55 0.00 0.10 0.00 0.00 66.02 68.01 1bux s SER 126 CO 0.76 -0.56 2.08 0.58 0.98 0.00 0.00 173.24 177.08 1bux h VAL 127 N 3.43 0.58 0.12 5.02 2.07 -1.92 0.14 116.25 125.70 1bux h VAL 127 Ca -0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1bux h VAL 127 Cb 1.19 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1bux h VAL 127 CO 0.52 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.72 1bux h GLU 128 N 0.00 -0.16 0.00 1.57 3.07 -1.97 -1.22 114.58 115.87 1bux h GLU 128 Ca 0.11 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 1bux h GLU 128 Cb 0.56 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1bux h GLU 128 CO -0.00 0.13 -0.22 0.77 -1.40 0.00 0.00 179.01 178.29 1bux h SER 129 N -0.44 0.00 0.70 1.42 0.02 -1.64 -3.01 113.55 110.60 1bux h SER 129 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1bux h SER 129 Cb 0.36 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1bux h SER 129 CO 0.03 0.22 -0.34 0.00 -1.14 0.00 0.00 176.83 175.60 1bux h ALA 130 N 1.78 -1.06 -1.03 3.77 0.00 -0.35 0.20 119.26 122.58 1bux h ALA 130 Ca -0.00 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.00 1bux h ALA 130 Cb 0.67 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1bux h ALA 130 CO 0.03 -0.99 0.61 -0.91 0.00 0.00 0.00 179.25 177.99 1bux h ASN 131 N -1.11 0.54 0.07 0.00 -0.26 -1.18 0.21 115.58 113.86 1bux h ASN 131 Ca -0.10 0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1bux h ASN 131 Cb 0.72 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 1bux h ASN 131 CO 0.16 -0.04 -0.03 -0.09 -1.06 0.00 0.00 177.43 176.36 1bux h ARG 132 N 0.40 -0.09 -0.84 0.81 2.43 -1.46 -2.88 114.38 112.75 1bux h ARG 132 Ca 0.70 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.94 1bux h ARG 132 Cb 1.58 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.09 1bux h ARG 132 CO -0.52 0.46 0.51 0.93 -1.51 0.00 0.00 179.97 179.84 1bux h GLU 133 N -0.88 0.91 0.75 0.20 5.08 0.67 -1.20 114.58 120.11 1bux h GLU 133 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1bux h GLU 133 Cb 0.60 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1bux h GLU 133 CO 0.02 0.60 -0.43 0.82 -1.00 0.00 0.00 179.01 179.02 1bux h ILE 134 N 0.94 0.14 -0.18 3.13 2.04 -0.76 -2.38 117.51 120.44 1bux h ILE 134 Ca 0.37 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.28 1bux h ILE 134 Cb 0.18 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1bux h ILE 134 CO -0.18 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.40 1bux h ALA 135 N -0.91 1.71 0.10 1.87 0.00 -1.19 0.59 119.26 121.42 1bux h ALA 135 Ca -0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1bux h ALA 135 Cb 0.87 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bux h ALA 135 CO 0.12 -0.53 -0.67 -0.07 0.00 0.00 0.00 179.25 178.11 1bux h LEU 136 N 0.00 0.32 0.00 0.00 3.38 -0.74 -3.39 115.31 114.89 1bux h LEU 136 Ca 0.09 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1bux h LEU 136 Cb 0.95 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1bux h LEU 136 CO -0.00 1.31 -1.16 0.79 0.09 0.00 0.00 178.44 179.47 1bux n TRP 137 N -4.24 0.76 -4.72 1.13 7.02 -0.76 -4.92 117.44 111.70 1bux n TRP 137 Ca -0.14 0.22 -0.28 0.00 -1.02 0.00 0.00 57.50 56.27 1bux n TRP 137 Cb 0.74 -0.85 -0.17 0.00 -2.42 0.00 0.00 31.31 28.61 1bux n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1bux s PHE 138 N -3.38 1.99 0.29 -5.99 0.08 0.13 -5.10 117.98 106.00 1bux s PHE 138 Ca -0.01 -0.85 -0.29 0.00 0.12 0.00 0.00 56.93 55.90 1bux s PHE 138 Cb 0.11 -1.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.06 1bux s PHE 138 CO 0.81 -0.40 1.11 0.15 -0.10 0.00 0.00 175.22 176.79 1bux s LYS 139 N 0.69 4.61 0.50 0.44 -0.14 -1.26 -4.49 119.74 120.08 1bux s LYS 139 Ca -0.13 1.83 0.22 0.00 -1.36 0.00 0.00 55.97 56.54 1bux s LYS 139 Cb -0.16 -3.16 1.22 0.00 -1.68 0.00 0.00 37.83 34.05 1bux s LYS 139 CO 0.03 0.17 1.65 -1.00 -0.76 0.00 0.00 175.35 175.44 1bux h PRO 140 N 3.75 0.00 -0.05 -1.68 0.13 -1.95 -0.25 132.00 131.95 1bux h PRO 140 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1bux h PRO 140 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1bux h PRO 140 CO 0.67 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.79 1bux h GLU 141 N 0.00 0.16 -0.02 0.86 5.08 -2.02 -3.11 114.58 115.53 1bux h GLU 141 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1bux h GLU 141 Cb 0.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1bux h GLU 141 CO 0.00 0.69 0.00 0.39 -1.00 0.00 0.00 179.01 179.09 1bux n GLU 142 N -3.88 0.90 -5.16 2.33 1.02 -0.10 -4.80 120.64 110.94 1bux n GLU 142 Ca -0.02 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 1bux n GLU 142 Cb 0.59 -1.01 -0.16 0.00 -0.02 0.00 0.00 31.44 30.84 1bux n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bux s LEU 143 N -0.98 2.04 0.08 -4.62 1.43 -1.18 -4.47 118.68 110.98 1bux s LEU 143 Ca 0.00 -0.44 -0.34 0.00 -1.03 0.00 0.00 54.13 52.31 1bux s LEU 143 Cb 0.00 -1.23 -0.14 0.00 0.03 0.00 0.00 46.19 44.85 1bux s LEU 143 CO 0.00 0.26 1.64 0.18 0.23 0.00 0.00 176.35 178.66 1bux n LEU 144 N 2.71 3.03 0.22 1.79 7.99 -0.20 -4.84 117.00 127.70 1bux n LEU 144 Ca -0.16 1.06 0.11 0.00 -0.01 0.00 0.00 56.01 57.00 1bux n LEU 144 Cb 0.52 -1.38 0.25 0.00 -0.11 0.00 0.00 43.42 42.70 1bux n LEU 144 CO 0.24 -0.31 0.78 0.71 -1.51 0.00 0.00 177.39 177.31 1bux h THR 145 N 4.10 0.19 -3.75 -5.08 1.35 -1.92 -3.45 112.91 104.34 1bux h THR 145 Ca -0.46 -1.14 -0.14 0.00 -0.55 0.00 0.00 66.41 64.12 1bux h THR 145 Cb 1.27 1.97 -0.19 0.00 -1.73 0.00 0.00 68.15 69.47 1bux h THR 145 CO 0.89 0.10 -0.55 -0.70 -0.25 0.00 0.00 175.52 175.02 1bux s GLU 146 N -3.28 0.50 0.01 4.72 2.56 -1.26 -5.17 118.70 116.79 1bux s GLU 146 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 54.97 54.40 1bux s GLU 146 Cb 0.06 0.20 -0.01 0.00 2.00 0.00 0.00 34.13 36.38 1bux s GLU 146 CO 0.66 -0.12 -0.03 0.08 -0.56 0.00 0.00 175.26 175.29 1bux s VAL 147 N -2.03 0.23 -0.33 3.70 1.01 -1.26 -5.12 120.40 116.60 1bux s VAL 147 Ca -0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1bux s VAL 147 Cb -0.05 -0.27 0.11 0.00 0.00 0.00 0.00 36.38 36.18 1bux s VAL 147 CO -0.02 -0.18 0.16 -1.59 0.00 0.00 0.00 175.10 173.47 1bux s LYS 148 N -0.72 0.55 0.63 2.72 -2.85 -1.26 -5.14 119.74 113.67 1bux s LYS 148 Ca -0.06 -1.06 -0.12 0.00 -1.00 0.00 0.00 55.97 53.73 1bux s LYS 148 Cb -0.05 -1.55 -0.03 0.00 -2.06 0.00 0.00 37.83 34.14 1bux s LYS 148 CO -0.00 -1.08 1.03 -1.25 0.10 0.00 0.00 175.35 174.15 1bux s PRO 149 N 1.49 3.43 -0.27 1.78 0.04 -1.26 -4.95 135.00 135.27 1bux s PRO 149 Ca 0.13 0.86 -0.42 0.00 0.04 0.00 0.00 61.00 61.61 1bux s PRO 149 Cb -0.19 -2.06 -0.18 0.00 0.04 0.00 0.00 34.50 32.11 1bux s PRO 149 CO -0.19 -0.70 1.55 -1.71 0.04 0.00 0.00 177.00 175.99 1bux n ASN 150 N -2.67 1.57 0.33 6.66 2.85 -1.26 -4.74 115.26 117.99 1bux n ASN 150 Ca 0.07 1.13 0.21 0.00 -0.11 0.00 0.00 54.58 55.88 1bux n ASN 150 Cb 0.54 -1.03 1.12 0.00 1.24 0.00 0.00 39.78 41.65 1bux n ASN 150 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1bux h PRO 151 N 5.54 0.00 0.00 1.20 0.11 -1.94 0.48 132.00 137.40 1bux h PRO 151 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bux h PRO 151 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1bux h PRO 151 CO 0.90 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.78 1bux n ASN 152 N -2.99 0.00 -0.01 -2.05 3.02 -1.26 -4.00 115.26 107.96 1bux n ASN 152 Ca -0.03 -0.36 -0.20 0.00 -0.03 0.00 0.00 54.58 53.97 1bux n ASN 152 Cb 0.12 -0.20 -0.14 0.00 -0.61 0.00 0.00 39.78 38.96 1bux n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bux h LEU 153 N 0.00 0.28 -9.67 3.41 4.07 -1.23 -3.48 115.31 108.70 1bux h LEU 153 Ca 0.00 -0.86 -0.60 0.00 0.08 0.00 0.00 57.88 56.50 1bux h LEU 153 Cb 0.18 -0.09 -0.11 0.00 1.08 0.00 0.00 40.66 41.71 1bux h LEU 153 CO 0.00 1.43 -0.59 -0.31 -1.08 0.00 0.00 178.44 177.89 1bux s TYR 154 N -2.40 2.53 -2.99 1.13 1.51 -1.26 -5.12 117.35 110.76 1bux s TYR 154 Ca -0.19 -0.56 0.24 0.00 -1.01 0.00 0.00 57.07 55.55 1bux s TYR 154 Cb 0.02 -1.68 0.21 0.00 -0.11 0.00 0.00 41.96 40.40 1bux s TYR 154 CO 0.74 0.42 1.27 -1.91 -1.11 0.00 0.00 175.55 174.96